N-diethoxyphosphorylprop-2-yn-1-amine

C7H14NO3P — CID 12804378

IUPACN-diethoxyphosphorylprop-2-yn-1-amine
SMILESC#CCNP(=O)(OCC)OCC
InChIInChI=1S/C7H14NO3P/c1-4-7-8-12(9,10-5-2)11-6-3/h1H,5-7H2,2-3H3,(H,8,9)
InChIKeyWDIIYASOPZECHL-UHFFFAOYSA-N
MW191.17 g/mol
LogP1.39
Rot. Bonds6

About N-diethoxyphosphorylprop-2-yn-1-amine

N-diethoxyphosphorylprop-2-yn-1-amine (PubChem CID 12804378) has the molecular formula C7H14NO3P and a molecular weight of 191.17 g/mol. Its IUPAC name is N-diethoxyphosphorylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-diethoxyphosphorylprop-2-yn-1-amine
PubChem CID12804378
Molecular FormulaC7H14NO3P
Molecular Weight191.17 g/mol
Exact Mass191.07
IUPAC NameN-diethoxyphosphorylprop-2-yn-1-amine
SMILESC#CCNP(=O)(OCC)OCC
InChIInChI=1S/C7H14NO3P/c1-4-7-8-12(9,10-5-2)11-6-3/h1H,5-7H2,2-3H3,(H,8,9)
InChIKeyWDIIYASOPZECHL-UHFFFAOYSA-N
XLogP1.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-diethoxyphosphorylprop-2-yn-1-amine?
The IUPAC name of N-diethoxyphosphorylprop-2-yn-1-amine (CID 12804378) is N-diethoxyphosphorylprop-2-yn-1-amine.
What is the SMILES notation for N-diethoxyphosphorylprop-2-yn-1-amine?
The canonical SMILES for N-diethoxyphosphorylprop-2-yn-1-amine is C#CCNP(=O)(OCC)OCC.
What is the InChIKey of N-diethoxyphosphorylprop-2-yn-1-amine?
The InChIKey is WDIIYASOPZECHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO3P/c1-4-7-8-12(9,10-5-2)11-6-3/h1H,5-7H2,2-3H3,(H,8,9).
What are the key properties of N-diethoxyphosphorylprop-2-yn-1-amine?
N-diethoxyphosphorylprop-2-yn-1-amine has a molecular weight of 191.17 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-diethoxyphosphorylprop-2-yn-1-amine is sourced from PubChem (CID 12804378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).